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7-methyl-2-(pyridin-2-yl)-1H-benzo[d]imidazole ID: ALA2269949
Chembl Id: CHEMBL2269949
PubChem CID: 12461041
Max Phase: Preclinical
Molecular Formula: C13H11N3
Molecular Weight: 209.25
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cccc2[nH]c(-c3ccccn3)nc12
Standard InChI: InChI=1S/C13H11N3/c1-9-5-4-7-10-12(9)16-13(15-10)11-6-2-3-8-14-11/h2-8H,1H3,(H,15,16)
Standard InChI Key: IHHKHEKVCAJPKE-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 209.25Molecular Weight (Monoisotopic): 209.0953AlogP: 2.93#Rotatable Bonds: 1Polar Surface Area: 41.57Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 10.96CX Basic pKa: 2.55CX LogP: 2.97CX LogD: 2.97Aromatic Rings: 3Heavy Atoms: 16QED Weighted: 0.67Np Likeness Score: -1.39
References 1. HISANO T, ICHIKAWA M, TSUMOTO K, TASAKI M. (1992) Synthesis of benzoxazoles, benzothiazoles and benzimidazoles and evaluation of their antifungal, insecticidal and herbicidal activities., 30 (8): [10.1248/cpb.30.2996 ] 2. (2014) Inhibitors of inv(16) leukemia,